Information card for entry 4350254

Structure parameters

• Chemical name: Poly[(3,5-Bis(4,4,5,5-tetramethyl-3-oxylimidazoline-1-oxide)phenylethynyl)pyridine)]bis(hexafluoroacetylacetonato)copper(II)
• Formula: C70 H42 Cu3.5 F42 N5 O18
• Calculated formula: C35 H21 Cu1.75 F21 N2.5 O9
• Title of publication: Metal-biradical chains from a high-spin ligand and bis(hexafluoroacetylacetonato)copper(II).
• Authors of publication: Rajadurai, Chandrasekar; Enkelmann, Volker; Ikorskii, Vladimir; Ovcharenko, Victor I.; Baumgarten, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9664 - 9669
• a: 10.6191 ± 0.0004 Å
• b: 19.6384 ± 0.0007 Å
• c: 21.9416 ± 0.0008 Å
• α: 107.112 ± 0.0014°
• β: 95.1078 ± 0.0012°
• γ: 94.208 ± 0.0012°
• Cell volume: 4331.9 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No